N-(3-methylsulfanylpropyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methylsulfanylpropyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-[3-(methylthio)propyl]-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-methylsulfanylpropyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C13H21N5S2 MolecularWeight: 311.46934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CSCCCNC(=S)N1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C13H21N5S2/c1-20-11-3-6-16-13(19)18-9-7-17(8-10-18)12-14-4-2-5-15-12/h2,4-5H,3,6-11H2,1H3,(H,16,19)